@MOLECULE n-[(1s)-1-cyclohexyl-2-{(2s)-2-[4-(1-naphthyl)-1,3-thiazol-2-yl]-1-pyrrolidinyl}-2-oxoethyl]-n~2~-methyl-l-alaninamide 72 76 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.6670 -0.3169 1.6916 O.2 1 UNL1111111111 -0.5297 2 C 1.9684 -0.0689 0.5411 C.2 1 UNL1111111111 0.5403 3 C 3.3394 -0.4999 -0.0168 C.3 1 UNL1111111111 -0.0109 4 C 3.5214 -2.0182 0.2265 C.3 1 UNL1111111111 -0.1100 5 C 4.8898 -2.4749 -0.3043 C.3 1 UNL1111111111 -0.2723 6 C 5.0687 -3.9807 -0.0728 C.3 1 UNL1111111111 -0.2630 7 C 3.9473 -4.7682 -0.7631 C.3 1 UNL1111111111 -0.2696 8 C 2.5760 -4.3018 -0.2585 C.3 1 UNL1111111111 -0.2541 9 C 2.3981 -2.7946 -0.4813 C.3 1 UNL1111111111 -0.2738 10 N 4.3257 0.2734 0.7420 N.am 1 UNL1111111111 -0.5969 11 C 4.8841 1.4106 0.2015 C.2 1 UNL1111111111 0.5328 12 O 4.6593 1.7345 -0.9491 O.2 1 UNL1111111111 -0.5707 13 C 5.8015 2.2358 1.1234 C.3 1 UNL1111111111 -0.0018 14 C 4.8967 3.1199 1.9911 C.3 1 UNL1111111111 -0.4565 15 N 6.7157 3.0946 0.3569 N.3 1 UNL1111111111 -0.5033 16 C 7.7337 2.3158 -0.3784 C.3 1 UNL1111111111 -0.2789 17 N 1.0648 0.5554 -0.2993 N.am 1 UNL1111111111 -0.5109 18 C -0.1563 1.1402 0.2927 C.3 1 UNL1111111111 0.0893 19 C -0.3208 2.5250 -0.3781 C.3 1 UNL1111111111 -0.2846 20 C 0.4285 2.4153 -1.7137 C.3 1 UNL1111111111 -0.2818 21 C 1.4615 1.2851 -1.5235 C.3 1 UNL1111111111 -0.0767 22 C -1.3385 0.2714 -0.0033 C.ar 1 UNL1111111111 0.0690 23 S -1.3446 -1.0465 -1.2020 S.2 1 UNL1111111111 0.2007 24 C -3.0115 -1.3550 -0.8352 C.ar 1 UNL1111111111 -0.3594 25 C -3.4510 -0.4887 0.1312 C.ar 1 UNL1111111111 0.1253 26 N -2.4956 0.4241 0.5950 N.ar 1 UNL1111111111 -0.3817 27 C -4.7929 -0.4429 0.7140 C.ar 1 UNL1111111111 -0.0120 28 C -5.0182 -1.0295 1.9362 C.ar 1 UNL1111111111 -0.1280 29 C -6.3149 -1.0170 2.5041 C.ar 1 UNL1111111111 -0.1449 30 C -7.3538 -0.4166 1.8417 C.ar 1 UNL1111111111 -0.1505 31 C -7.1415 0.2086 0.5819 C.ar 1 UNL1111111111 -0.0043 32 C -8.2086 0.8445 -0.1116 C.ar 1 UNL1111111111 -0.1553 33 C -5.8501 0.2052 0.0097 C.ar 1 UNL1111111111 -0.0032 34 C -5.6454 0.8545 -1.2394 C.ar 1 UNL1111111111 -0.1470 35 C -6.6883 1.4646 -1.8863 C.ar 1 UNL1111111111 -0.1471 36 C -7.9868 1.4564 -1.3177 C.ar 1 UNL1111111111 -0.1446 37 H 3.4448 -0.2795 -1.1118 H 1 UNL1111111111 0.1833 38 H 3.4607 -2.2208 1.3244 H 1 UNL1111111111 0.1578 39 H 4.9777 -2.2450 -1.3827 H 1 UNL1111111111 0.1413 40 H 5.7034 -1.9153 0.1916 H 1 UNL1111111111 0.1359 41 H 6.0533 -4.3082 -0.4520 H 1 UNL1111111111 0.1278 42 H 5.0710 -4.1998 1.0115 H 1 UNL1111111111 0.1362 43 H 4.0121 -4.6356 -1.8588 H 1 UNL1111111111 0.1348 44 H 4.0736 -5.8501 -0.5791 H 1 UNL1111111111 0.1273 45 H 1.7705 -4.8559 -0.7746 H 1 UNL1111111111 0.1325 46 H 2.4673 -4.5382 0.8169 H 1 UNL1111111111 0.1385 47 H 1.4096 -2.4798 -0.0921 H 1 UNL1111111111 0.1502 48 H 2.3949 -2.5692 -1.5631 H 1 UNL1111111111 0.1399 49 H 4.4272 0.0297 1.7174 H 1 UNL1111111111 0.3249 50 H 6.4151 1.5578 1.7717 H 1 UNL1111111111 0.1571 51 H 4.2386 3.7534 1.3828 H 1 UNL1111111111 0.1582 52 H 4.2667 2.5271 2.6630 H 1 UNL1111111111 0.1547 53 H 5.5062 3.7960 2.6096 H 1 UNL1111111111 0.1728 54 H 6.1911 3.6912 -0.2880 H 1 UNL1111111111 0.2699 55 H 8.4016 3.0228 -0.8995 H 1 UNL1111111111 0.1476 56 H 8.3511 1.7435 0.3322 H 1 UNL1111111111 0.1431 57 H 7.3147 1.6228 -1.1265 H 1 UNL1111111111 0.1353 58 H -0.0487 1.2357 1.4137 H 1 UNL1111111111 0.1940 59 H -1.3830 2.7923 -0.5127 H 1 UNL1111111111 0.1672 60 H 0.1139 3.3131 0.2611 H 1 UNL1111111111 0.1520 61 H -0.2664 2.1785 -2.5379 H 1 UNL1111111111 0.1480 62 H 0.9188 3.3641 -1.9845 H 1 UNL1111111111 0.1485 63 H 2.4907 1.7012 -1.4334 H 1 UNL1111111111 0.1665 64 H 1.4600 0.5801 -2.3809 H 1 UNL1111111111 0.1455 65 H -3.5811 -2.1286 -1.3161 H 1 UNL1111111111 0.1933 66 H -4.2018 -1.5040 2.4820 H 1 UNL1111111111 0.1662 67 H -6.4671 -1.4903 3.4728 H 1 UNL1111111111 0.1548 68 H -8.3551 -0.4036 2.2682 H 1 UNL1111111111 0.1519 69 H -9.2003 0.8358 0.3362 H 1 UNL1111111111 0.1505 70 H -4.6434 0.8635 -1.6674 H 1 UNL1111111111 0.1593 71 H -6.5357 1.9637 -2.8412 H 1 UNL1111111111 0.1506 72 H -8.7981 1.9450 -1.8535 H 1 UNL1111111111 0.1486 @BOND 1 1 2 2 2 2 3 1 3 2 17 am 4 3 4 1 5 3 10 1 6 3 37 1 7 4 5 1 8 4 9 1 9 4 38 1 10 5 6 1 11 5 39 1 12 5 40 1 13 6 7 1 14 6 41 1 15 6 42 1 16 7 8 1 17 7 43 1 18 7 44 1 19 8 9 1 20 8 45 1 21 8 46 1 22 9 47 1 23 9 48 1 24 10 11 am 25 10 49 1 26 11 12 2 27 11 13 1 28 13 14 1 29 13 15 1 30 13 50 1 31 14 51 1 32 14 52 1 33 14 53 1 34 15 16 1 35 15 54 1 36 16 55 1 37 16 56 1 38 16 57 1 39 17 18 1 40 17 21 1 41 18 19 1 42 18 22 1 43 18 58 1 44 19 20 1 45 19 59 1 46 19 60 1 47 20 21 1 48 20 61 1 49 20 62 1 50 21 63 1 51 21 64 1 52 22 23 ar 53 22 26 ar 54 23 24 ar 55 24 25 ar 56 24 65 1 57 25 26 ar 58 25 27 1 59 27 28 ar 60 27 33 ar 61 28 29 ar 62 28 66 1 63 29 30 ar 64 29 67 1 65 30 31 ar 66 30 68 1 67 31 32 ar 68 31 33 ar 69 32 36 ar 70 32 69 1 71 33 34 ar 72 34 35 ar 73 34 70 1 74 35 36 ar 75 35 71 1 76 36 72 1